[2-(cyclopropylamino)-1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-4-phenylpyrrolidin-3-yl]-2-oxoethyl] acetate

C22H25N3O5 — CID 138523545

IUPAC[2-(cyclopropylamino)-1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-4-phenylpyrrolidin-3-yl]-2-oxoethyl] acetate
SMILESCC(=O)OC(C(=O)NC1CC1)C1CN(Cc2cc(C)on2)C(=O)C1c1ccccc1
InChIInChI=1S/C22H25N3O5/c1-13-10-17(24-30-13)11-25-12-18(19(22(25)28)15-6-4-3-5-7-15)20(29-14(2)26)21(27)23-16-8-9-16/h3-7,10,16,18-20H,8-9,11-12H2,1-2H3,(H,23,27)
InChIKeyVIROVWLNKDJGBR-UHFFFAOYSA-N
MW411.46 g/mol
LogP1.94
Rot. Bonds7

About [2-(cyclopropylamino)-1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-4-phenylpyrrolidin-3-yl]-2-oxoethyl] acetate

[2-(cyclopropylamino)-1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-4-phenylpyrrolidin-3-yl]-2-oxoethyl] acetate (PubChem CID 138523545) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is [2-(cyclopropylamino)-1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-4-phenylpyrrolidin-3-yl]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-4-phenylpyrrolidin-3-yl]-2-oxoethyl] acetate
PubChem CID138523545
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name[2-(cyclopropylamino)-1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-4-phenylpyrrolidin-3-yl]-2-oxoethyl] acetate
SMILESCC(=O)OC(C(=O)NC1CC1)C1CN(Cc2cc(C)on2)C(=O)C1c1ccccc1
InChIInChI=1S/C22H25N3O5/c1-13-10-17(24-30-13)11-25-12-18(19(22(25)28)15-6-4-3-5-7-15)20(29-14(2)26)21(27)23-16-8-9-16/h3-7,10,16,18-20H,8-9,11-12H2,1-2H3,(H,23,27)
InChIKeyVIROVWLNKDJGBR-UHFFFAOYSA-N
XLogP1.94
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3R,4S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-4-phenylpyrrolidin-3-yl]-2-oxo-N-propan-2-ylacetamide
CID 138523614
(2S)-N-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide
CID 94091601
N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]benzamide
CID 33106364
1-[(3S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpiperazin-1-yl]ethanone
CID 125014450
2-(5-methyl-1,2-oxazol-3-yl)-N-[(1R,2S)-2-phenylcyclohexyl]acetamide
CID 95964657
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 8636637
N-(3,4-dihydro-2H-chromen-4-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide
CID 47035218
5-methyl-3-[(4-methyl-3-phenylpiperazin-1-yl)methyl]-1,2-oxazole
CID 110098343
(2R)-N-cyclopropyl-2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide
CID 94087908
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylpiperazine-2,5-dione
CID 64967995
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-phenylmorpholine-4-carboxamide
CID 71925676
2-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)ethanone
CID 110634595

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-4-phenylpyrrolidin-3-yl]-2-oxoethyl] acetate?
The IUPAC name of [2-(cyclopropylamino)-1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-4-phenylpyrrolidin-3-yl]-2-oxoethyl] acetate (CID 138523545) is [2-(cyclopropylamino)-1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-4-phenylpyrrolidin-3-yl]-2-oxoethyl] acetate.
What is the SMILES notation for [2-(cyclopropylamino)-1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-4-phenylpyrrolidin-3-yl]-2-oxoethyl] acetate?
The canonical SMILES for [2-(cyclopropylamino)-1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-4-phenylpyrrolidin-3-yl]-2-oxoethyl] acetate is CC(=O)OC(C(=O)NC1CC1)C1CN(Cc2cc(C)on2)C(=O)C1c1ccccc1.
What is the InChIKey of [2-(cyclopropylamino)-1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-4-phenylpyrrolidin-3-yl]-2-oxoethyl] acetate?
The InChIKey is VIROVWLNKDJGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-13-10-17(24-30-13)11-25-12-18(19(22(25)28)15-6-4-3-5-7-15)20(29-14(2)26)21(27)23-16-8-9-16/h3-7,10,16,18-20H,8-9,11-12H2,1-2H3,(H,23,27).
What are the key properties of [2-(cyclopropylamino)-1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-4-phenylpyrrolidin-3-yl]-2-oxoethyl] acetate?
[2-(cyclopropylamino)-1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-4-phenylpyrrolidin-3-yl]-2-oxoethyl] acetate has a molecular weight of 411.46 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-4-phenylpyrrolidin-3-yl]-2-oxoethyl] acetate is sourced from PubChem (CID 138523545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).